Geometry & MOs

Info

ID:	35925
PubChem CID:	7980508
Reduced:	NSO3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	3.69
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)CCSC2=CC=CC=C2

DOS

IR

Vibrations